Geometry & MOs

Info

ID:

190752

PubChem CID:

78051978

Reduced:

N2O4C14H17 (2)

Stoich.:

A2B4C14D17 (2)

Weight, g/mol:

598.355277

ΔHf, kcal/mol:

-327.29

Dipole, Da:

1.03

IP(EA), eV:

 -9.51(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one;cyclohexylmethylcarbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCCNC(=O)C(CC2=CC=CC=C2)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O

DOS

IR

Vibrations